SCHEMBL5057655

SCHEMBL5057655

O=C(O)c1ccc2c(c1)N=C(N1CCCCC1)c1cc(F)ccc1S2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.54
CNR1 P21554 3/20 0.49
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
PLEC Q15149 1/20 0.46
NPC1 O15118 1/20 0.44
HDAC8 Q9BY41 2/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ERAP1 Q9NZ08 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7949600 0.81 DRD2 (0.78) DRD2CNR1HDAC8CHRM1DRD4
SCHEMBL5576863 0.80 TP53 (0.58) DRD2CNR1MEN1KMT2ACNR2
SCHEMBL5057174 0.78 ALDH1A1 (0.55) CNR1ALDH1A1RECQLSIRT5PLEC
SCHEMBL5576074 0.78 CNR1 (0.83) DRD2CNR1CNR2POLBSMN1; SMN2
SCHEMBL11390683 0.78 DRD2 (0.52) DRD2CNR1MEN1KMT2APLEC
SCHEMBL5064756 0.78 CNR1 (0.56) CNR1ALDH1A1MEN1KMT2ARECQL
SCHEMBL5058633 0.76 CNR1 (0.75) CNR1ALDH1A1MEN1KMT2ACNR2
SCHEMBL5062729 0.76 MEN1 (0.62) DRD2CNR1ALDH1A1MEN1KMT2A
SCHEMBL13807799 0.75 CNR1 (0.66) DRD2CNR1MEN1KMT2APLEC
SCHEMBL5064758 0.74 PLEC (0.55) DRD2CNR1ALDH1A1RECQLSIRT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH DRD2 751/4885CNR1 1/4885ALDH1A1 888/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.